(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid

C8H13NO2 — CID 69415459

IUPAC(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyJMWRIQIIDLNILM-BQBZGAKWSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds3

About (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid

(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid (PubChem CID 69415459) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
PubChem CID69415459
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyJMWRIQIIDLNILM-BQBZGAKWSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid (CID 69415459) is (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid is C=CC[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The InChIKey is JMWRIQIIDLNILM-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).